SCHEMBL4026679

SCHEMBL4026679

Cc1cccc([C@H]2[CH]CN(CCO)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
KIF11 P52732 1/20 0.34
RORC P51449 1/20 0.34
SLC6A1 P30531 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32
CCR5 P51681 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
HTR2A P28223 1/20 0.32
GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4024600 1.00 L3MBTL1 (0.34) L3MBTL1KIF11RORCSLC6A1KMT2A
SCHEMBL4027189 0.94 KCNH2 (0.35) KIF11RORCSLC6A1KMT2AKCNH2
SCHEMBL4020571 0.94 KCNH2 (0.35) KIF11RORCSLC6A1KMT2AKCNH2
SCHEMBL4028852 0.93 KCNH2 (0.37) KIF11RORCKMT2AKCNH2ALDH1A1
SCHEMBL4027448 0.91 KDM2B (0.37) KIF11RORCKMT2AMEN1KCNH2
SCHEMBL4021821 0.90 KIF11 (0.41) KIF11RORCSLC6A1KMT2AMEN1
SCHEMBL4026766 0.90 KIF11 (0.41) KIF11RORCSLC6A1KMT2AMEN1
SCHEMBL4025183 0.89 KIF11 (0.37) KIF11RORCSLC6A1ALDH1A1
SCHEMBL4026061 0.89 KIF11 (0.43) KIF11RORCKMT2AMEN1KCNH2
SCHEMBL4019022 0.89 KIF11 (0.37) KIF11RORCSLC6A1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 L3MBTL1 3696/4885KIF11 3745/4885RORC 183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.